☆12Sep 1, 2025Updated 10 months ago
Alternatives and similar repositories for dielectric-pred
Users that are interested in dielectric-pred are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Phonons from ML force fields☆25Mar 22, 2026Updated 3 months ago
- We present the virtual node graph neural network (VGNN) to address the challenges in phonon prediction.☆25Oct 28, 2024Updated last year
- Reproduction of CGCNN for predicting material properties☆27Updated this week
- MatAgent: A generative framework for interpretable and targeted inorganic materials design using diffusion-based generation, property pre…☆18Dec 11, 2025Updated 6 months ago
- ☆53Jun 16, 2026Updated 2 weeks ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Structural constraint integration in a generative model for the discovery of quantum materials☆33Oct 2, 2025Updated 9 months ago
- Original implementation of CSPML☆29Dec 22, 2024Updated last year
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 8 months ago
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆14Feb 20, 2026Updated 4 months ago
- Code for Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models☆12Feb 19, 2025Updated last year
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆31Nov 11, 2023Updated 2 years ago
- Different utilities used by our group☆36Feb 6, 2026Updated 4 months ago
- Generate symmetrized force constants☆29Jun 22, 2026Updated last week
- CrystalGRW: Generative Modeling of Crystal Structures with Targeted Properties via Geodesic Random Walks☆15May 22, 2026Updated last month
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- The latest stable release for the crystal structure prediction code FUSE☆13Oct 28, 2025Updated 8 months ago
- Wyckoff Transformer: Generation of Symmetric Crystals [ICML 2025]☆29Jun 8, 2026Updated 3 weeks ago
- High-throughput workflows to calculate surface energies of solids.☆12Jun 24, 2024Updated 2 years ago
- Get prediction intervals, confidence intervals, and parameter uncertainties for various machine learning models☆19Feb 9, 2026Updated 4 months ago
- JAX implementation of the NequIP neural network interatomic potential☆17Feb 24, 2026Updated 4 months ago
- Collective atomic modulation analysis with irreducible space-group representation☆18Jun 22, 2026Updated last week
- Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)☆29Aug 20, 2024Updated last year
- ML potentials via transfer learning☆29Jun 25, 2026Updated last week
- Implementation of "Chemical Design with GPU-based Ising Machine"☆14Jul 11, 2023Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Local Environment-based Atomic Features☆13Dec 19, 2024Updated last year
- Graph neural network prediction of electronic Hamiltonians in atomic orbital representation with many body messages☆39Jun 2, 2026Updated last month
- The official code respository for "Crystalformer: Infinitely Connected Attention for Periodic Structure Encoding" (ICLR 2024)☆28Mar 8, 2025Updated last year
- Quick Uncertainty and Entropy via STructural Similarity☆61Apr 1, 2026Updated 3 months ago
- Equitrain: A Unified Framework for Training and Fine-tuning Machine Learning Interatomic Potentials☆29Jun 17, 2026Updated 2 weeks ago
- Auto-differentiated descriptors using Enzyme☆12Apr 2, 2025Updated last year
- Wyckoff Inorganic Crystal Generator Framework☆29Mar 7, 2025Updated last year
- ☆20Oct 18, 2022Updated 3 years ago
- Equivariant machine learning model for predicting self-consistent Hubbard parameters☆18Apr 13, 2026Updated 2 months ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Generator of polynomial machine learning potentials☆22Updated this week
- A Benchmarking Framework for Crystal GNNs☆21Jan 3, 2024Updated 2 years ago
- MatInvent: Accelerating inverse materials design using generative diffusion models with reinforcement learning☆49May 28, 2026Updated last month
- MODNet: a framework for machine learning materials properties☆112May 2, 2025Updated last year
- Universal Ensemble-Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structures☆33Dec 19, 2024Updated last year
- URL links to phonondb data☆39May 20, 2026Updated last month
- A text-guided diffusion model for crystal structure generation☆79May 30, 2025Updated last year